Vitas-M small molecule compound
6-tert-butyl-1-(2-nitrophenyl)-3a,4,4a,7a,8,8a-hexahydro-4,8-methano[1,2,3]triazolo[4,5-f]isoindole-5,7(1H,6H)-dione
Catalog ID
STK772669
SMILES O=C1C2C3CC(C2C(=O)N1C(C)(C)C)C1C3N(N=N1)c1ccccc1[N+](=O)[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H21N5O4 MW 383.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O4/c1-19(2,3)22-17(25)13-9-8-10(14(13)18(22)26)16-15(9)20-21-23(16)11-6-4-5-7-12(11)24(27)28/h4-7,9-10,13-16H,8H2,1-3H3InChIKey
BGEBNCFBGNHABL-UHFFFAOYSA-NSynonyms
6tertbutyl1(2nitrophenyl)3a44a7a88ahexahydro48methano(123)triazolo(45f)isoindole57(1H6H)dione
CC(C)(C)N1C(=O)C2C3CC(C2C1=O)C4C3N=NN4C5=CC=CC=C5(N+)(=O)(O)
InChI=1SC19H21N5O4c119(23)2217(25)139810(14(13)18(22)26)1615(9)202123(16)11645712(11)24(27)28h479101316H8H213H3
MFCD03820565
O=C1C2C3CC(C2C(=O)N1C(C)(C)C)C1C3N(N=N1)c1ccccc1(N+)(=O)(O)
ZINC000004581411
ZINC000245234498
Check stock
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Check stock on Vitas-MAvailable files
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